Geometry & MOs

Info

ID:	414291
PubChem CID:	135087247
Reduced:	ClNSO5C17H22 (1)
Stoich.:	ABCD5E17F22 (1)
Weight, g/mol:	310.146347
ΔH_f, kcal/mol:	-213.01
Dipole, Da:	4.6
IP(EA), eV:	-9.75(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl)O

DOS

IR

Vibrations